#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa n LEU 30 N 0.00 3.20 -4.27 0.99 -0.00 -1.26 -5.10 117.00 110.56 2jxa n LEU 30 Ca 0.00 -5.32 -0.35 0.00 -0.00 0.00 0.00 56.01 50.34 2jxa n LEU 30 Cb 0.00 -0.50 0.08 0.00 -0.00 0.00 0.00 43.42 43.00 2jxa n LEU 30 CO 0.00 2.03 -0.53 -2.65 -0.00 0.00 0.00 177.39 176.24 2jxa n PRO 31 N 1.05 -0.08 0.00 1.47 -0.02 -1.26 -4.81 135.00 131.34 2jxa n PRO 31 Ca 0.28 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 2jxa n PRO 31 Cb 0.42 -1.51 0.23 0.00 -0.02 0.00 0.00 33.50 32.62 2jxa n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jxa n PHE 32 N -2.92 0.00 -1.91 6.00 3.01 -1.26 -4.81 117.46 115.57 2jxa n PHE 32 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2jxa n PHE 32 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jxa n GLY 33 N 0.54 0.77 3.09 1.37 0.00 -1.26 -5.07 105.19 104.62 2jxa n GLY 33 Ca 0.06 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.58 2jxa n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jxa s LEU 34 N -1.15 -1.37 0.44 0.99 1.98 -1.26 -5.11 118.68 113.20 2jxa s LEU 34 Ca 0.00 0.14 0.00 0.00 -2.89 0.00 0.00 54.13 51.38 2jxa s LEU 34 Cb 0.00 1.80 0.00 0.00 0.66 0.00 0.00 46.19 48.65 2jxa s LEU 34 CO 0.00 -0.31 0.00 0.23 -1.89 0.00 0.00 176.35 174.38 2jxa n MET 35 N 5.40 -4.78 -3.44 1.98 2.81 -1.26 -4.95 117.12 112.87 2jxa n MET 35 Ca 0.03 3.51 -0.34 0.00 -1.81 0.00 0.00 57.70 59.09 2jxa n MET 35 Cb 0.52 -3.90 -0.05 0.00 -0.71 0.00 0.00 33.22 29.08 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jxa s ARG 36 N -2.98 3.84 -0.10 0.03 0.52 -0.29 -4.90 118.95 115.07 2jxa s ARG 36 Ca 0.00 0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 55.44 2jxa s ARG 36 Cb 0.00 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.68 2jxa s ARG 36 CO 0.00 0.43 0.25 0.50 0.02 0.00 0.00 175.30 176.49 2jxa s ARG 37 N -2.35 0.26 0.03 3.54 3.52 -1.26 -1.54 118.95 121.14 2jxa s ARG 37 Ca 0.41 0.40 0.02 0.00 -0.13 0.00 0.00 55.73 56.43 2jxa s ARG 37 Cb -0.13 0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.31 2jxa s ARG 37 CO 0.20 -0.07 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.33 2jxa s GLU 38 N 0.46 0.54 -0.05 5.12 8.01 -0.80 -5.02 118.70 126.95 2jxa s GLU 38 Ca -0.03 -0.57 -0.03 0.00 0.01 0.00 0.00 54.97 54.36 2jxa s GLU 38 Cb -0.04 -0.41 0.03 0.00 -4.31 0.00 0.00 34.13 29.40 2jxa s GLU 38 CO -0.02 0.09 0.12 -1.17 0.01 0.00 0.00 175.26 174.29 2jxa s LEU 39 N -1.04 1.02 0.02 1.80 0.20 -1.26 -1.52 118.68 117.90 2jxa s LEU 39 Ca -0.05 0.25 0.01 0.00 0.69 0.00 0.00 54.13 55.03 2jxa s LEU 39 Cb -0.07 0.33 -0.02 0.00 -0.43 0.00 0.00 46.19 46.00 2jxa s LEU 39 CO 0.00 -0.11 -0.04 0.00 -0.29 0.00 0.00 176.35 175.91 2jxa s ALA 40 N 0.82 0.26 0.17 5.97 0.00 -0.86 -4.98 121.76 123.14 2jxa s ALA 40 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2jxa s ALA 40 Cb -0.08 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.05 2jxa s ALA 40 CO -0.04 -0.09 1.29 0.00 0.00 0.00 0.00 175.76 176.92 2jxa n GLU 42 N 2.97 0.67 -0.00 0.00 2.13 -1.07 -2.19 120.64 123.15 2jxa n GLU 42 Ca 0.07 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2jxa n GLU 42 Cb 0.43 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.69 2jxa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jxa n GLY 43 N 1.66 1.00 3.46 8.31 0.00 -0.22 -4.90 105.19 114.49 2jxa n GLY 43 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2jxa n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxa s TYR 44 N -2.34 2.46 0.32 1.61 2.02 -0.93 -4.68 117.35 115.81 2jxa s TYR 44 Ca 0.00 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 2jxa s TYR 44 Cb 0.00 -1.30 -0.10 0.00 -0.40 0.00 0.00 41.96 40.15 2jxa s TYR 44 CO 0.00 0.39 1.37 -1.25 -1.57 0.00 0.00 175.55 174.49 2jxa s PRO 45 N -2.18 4.29 0.03 -1.71 0.04 -1.26 -0.23 135.00 133.97 2jxa s PRO 45 Ca 0.17 2.30 0.05 0.00 0.04 0.00 0.00 61.00 63.57 2jxa s PRO 45 Cb -0.10 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2jxa s PRO 45 CO 0.09 -0.31 -0.12 -1.50 0.04 0.00 0.00 177.00 175.20 2jxa s ILE 46 N -0.81 3.21 -0.09 0.56 2.07 0.34 -4.86 121.20 121.62 2jxa s ILE 46 Ca 0.53 -1.02 0.03 0.00 -1.41 0.00 0.00 60.65 58.77 2jxa s ILE 46 Cb -0.41 -2.39 0.01 0.00 0.13 0.00 0.00 42.46 39.80 2jxa s ILE 46 CO 0.52 0.34 -0.18 -0.70 -1.91 0.00 0.00 174.94 173.01 2jxa s GLU 47 N -1.51 2.36 -0.01 3.50 2.12 -1.26 -2.18 118.70 121.72 2jxa s GLU 47 Ca 0.16 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.91 2jxa s GLU 47 Cb -0.11 -1.88 -0.03 0.00 0.26 0.00 0.00 34.13 32.37 2jxa s GLU 47 CO 0.07 0.06 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.21 2jxa s LEU 48 N 0.62 2.80 -0.17 2.70 1.43 -0.69 -4.98 118.68 120.39 2jxa s LEU 48 Ca -0.14 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 2jxa s LEU 48 Cb -0.16 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.50 2jxa s LEU 48 CO 0.04 0.31 0.44 -0.13 0.23 0.00 0.00 176.35 177.24 2jxa s ARG 49 N -1.09 0.49 0.06 1.70 0.52 -1.26 -2.10 118.95 117.27 2jxa s ARG 49 Ca 0.14 0.68 0.01 0.00 -0.52 0.00 0.00 55.73 56.03 2jxa s ARG 49 Cb -0.11 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 2jxa s ARG 49 CO 0.03 -0.09 0.16 0.00 0.02 0.00 0.00 175.30 175.43 2jxa s PRO 51 N -2.43 2.66 4.52 0.00 0.04 -1.26 -4.74 135.00 133.78 2jxa s PRO 51 Ca 0.33 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2jxa s PRO 51 Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2jxa s PRO 51 CO 0.25 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2jxa n GLY 52 N -1.50 3.09 0.47 0.56 0.00 -1.26 -1.61 105.19 104.95 2jxa n GLY 52 Ca 0.08 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.45 2jxa n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxa n SER 53 N 6.67 1.60 -4.68 1.61 3.41 -1.26 -5.06 113.62 115.90 2jxa n SER 53 Ca 0.00 -3.01 -0.29 0.00 -0.26 0.00 0.00 58.87 55.31 2jxa n SER 53 Cb 0.00 -0.40 0.14 0.00 -0.26 0.00 0.00 64.21 63.69 2jxa n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jxa s ASP 54 N -2.56 3.40 0.09 4.04 1.01 -0.63 -4.27 116.67 117.76 2jxa s ASP 54 Ca 0.28 0.86 0.08 0.00 0.71 0.00 0.00 52.55 54.49 2jxa s ASP 54 Cb 0.27 -1.36 -0.03 0.00 1.01 0.00 0.00 42.92 42.80 2jxa s ASP 54 CO -0.03 -2.61 -0.21 0.68 0.21 0.00 0.00 175.17 173.21 2jxa s VAL 55 N -3.34 1.71 0.26 -1.27 -7.23 0.54 -4.39 120.40 106.68 2jxa s VAL 55 Ca 0.65 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.04 2jxa s VAL 55 Cb -0.13 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 2jxa s VAL 55 CO 0.53 -0.01 1.13 -0.63 -0.31 0.00 0.00 175.10 175.81 2jxa s ILE 56 N -1.10 3.45 -0.30 -0.62 1.01 0.34 -2.04 121.20 121.95 2jxa s ILE 56 Ca 0.07 1.40 -0.01 0.00 0.00 0.00 0.00 60.65 62.11 2jxa s ILE 56 Cb -0.10 -3.89 0.10 0.00 0.01 0.00 0.00 42.46 38.58 2jxa s ILE 56 CO 0.04 0.31 0.10 0.00 0.00 0.00 0.00 174.94 175.39 2jxa s MET 57 N -1.20 0.63 0.07 2.79 0.23 0.04 -1.09 119.30 120.77 2jxa s MET 57 Ca 0.47 -0.97 -0.31 0.00 -1.03 0.00 0.00 55.69 53.85 2jxa s MET 57 Cb -0.33 -1.86 -0.09 0.00 -1.53 0.00 0.00 34.83 31.03 2jxa s MET 57 CO 0.41 -0.98 1.74 0.08 -2.03 0.00 0.00 175.02 174.24 2jxa s VAL 58 N 1.70 2.93 -0.24 5.16 1.01 -1.26 -2.41 120.40 127.29 2jxa s VAL 58 Ca 0.09 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 2jxa s VAL 58 Cb -0.17 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.88 2jxa s VAL 58 CO -0.27 -0.01 -0.26 -0.62 0.00 0.00 0.00 175.10 173.94 2jxa n GLU 59 N 5.97 0.54 -3.74 2.72 1.02 -0.82 -4.96 120.64 121.36 2jxa n GLU 59 Ca 0.17 0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 2jxa n GLU 59 Cb 0.40 -1.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jxa s ASN 60 N -6.76 -0.26 -0.11 1.62 0.01 -1.06 -5.05 114.94 103.33 2jxa s ASN 60 Ca -0.32 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 2jxa s ASN 60 Cb 0.11 0.39 0.11 0.00 0.41 0.00 0.00 41.25 42.27 2jxa s ASN 60 CO 0.47 -0.42 0.93 0.00 -1.51 0.00 0.00 177.10 176.57 2jxa s ALA 61 N -1.13 -1.89 -0.01 0.60 0.00 -1.26 -0.26 121.76 117.82 2jxa s ALA 61 Ca -0.12 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 2jxa s ALA 61 Cb -0.04 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2jxa s ALA 61 CO 0.04 -0.41 0.32 1.21 0.00 0.00 0.00 175.76 176.92 2jxa s ASN 62 N -1.45 -0.20 -0.16 0.00 2.47 -0.22 -3.73 114.94 111.67 2jxa s ASN 62 Ca -0.01 0.08 0.02 0.00 0.42 0.00 0.00 52.86 53.37 2jxa s ASN 62 Cb -0.01 0.32 0.02 0.00 -1.45 0.00 0.00 41.25 40.13 2jxa s ASN 62 CO 0.00 -0.46 -0.20 -0.47 -3.72 0.00 0.00 177.10 172.25 2jxa s TYR 63 N -1.38 2.63 0.00 0.43 6.14 -1.26 -1.82 117.35 122.09 2jxa s TYR 63 Ca -0.13 -1.44 0.00 0.00 0.64 0.00 0.00 57.07 56.14 2jxa s TYR 63 Cb -0.05 -1.82 0.00 0.00 0.42 0.00 0.00 41.96 40.51 2jxa s TYR 63 CO 0.04 -0.70 0.00 0.41 0.64 0.00 0.00 175.55 175.94 2jxa n GLY 64 N 4.38 -0.32 3.37 8.97 0.00 -0.68 -3.19 105.19 117.72 2jxa n GLY 64 Ca -0.20 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 2jxa n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxa s ARG 65 N -1.47 0.41 0.00 1.61 3.52 -0.93 0.27 118.95 122.36 2jxa s ARG 65 Ca 0.00 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 2jxa s ARG 65 Cb 0.00 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2jxa s ARG 65 CO 0.00 -0.26 0.79 0.25 -0.81 0.00 0.00 175.30 175.28 2jxa n THR 66 N 5.41 0.62 -3.79 4.11 -2.24 -1.26 -0.10 114.28 117.04 2jxa n THR 66 Ca -0.09 -0.73 -0.11 0.00 -2.27 0.00 0.00 64.05 60.85 2jxa n THR 66 Cb 0.49 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 2jxa n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jxa s ASP 67 N -0.62 -0.07 0.00 3.42 -1.08 -1.26 -4.77 116.67 112.28 2jxa s ASP 67 Ca 0.00 -0.26 0.09 0.00 -0.52 0.00 0.00 52.55 51.87 2jxa s ASP 67 Cb 0.00 0.33 0.14 0.00 -1.46 0.00 0.00 42.92 41.93 2jxa s ASP 67 CO 0.00 -0.59 0.95 -0.90 0.52 0.00 0.00 175.17 175.14 2jxa n ASP 68 N 0.62 2.14 -0.73 -0.34 5.75 -1.26 -4.48 116.55 118.24 2jxa n ASP 68 Ca -0.19 -1.61 0.06 0.00 -0.01 0.00 0.00 54.79 53.05 2jxa n ASP 68 Cb 0.59 -0.07 0.17 0.00 -1.03 0.00 0.00 41.12 40.78 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jxa n LYS 69 N 0.47 2.73 -4.76 0.11 5.02 -1.26 -4.91 118.16 115.55 2jxa n LYS 69 Ca 0.07 -2.09 -0.33 0.00 -2.02 0.00 0.00 58.31 53.94 2jxa n LYS 69 Cb 0.29 -1.31 -0.13 0.00 -0.02 0.00 0.00 35.03 33.87 2jxa n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jxa s ILE 70 N -1.00 3.29 -0.66 -0.18 -1.09 -1.26 -4.74 121.20 115.55 2jxa s ILE 70 Ca 0.26 -0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 58.00 2jxa s ILE 70 Cb 0.14 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 38.69 2jxa s ILE 70 CO 0.18 0.57 0.66 0.00 -1.23 0.00 0.00 174.94 175.12 2jxa n ASP 72 N -1.48 3.31 -0.54 0.00 -0.08 -1.26 -4.95 116.55 111.54 2jxa n ASP 72 Ca -0.04 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.23 2jxa n ASP 72 Cb 0.54 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.66 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jxa n ALA 73 N 6.47 0.00 -1.80 -1.67 0.00 -1.26 -5.11 120.51 117.14 2jxa n ALA 73 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 2jxa n ALA 73 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 2jxa n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jxa s ASP 74 N 0.06 6.60 0.48 0.00 1.47 -1.26 -4.80 116.67 119.22 2jxa s ASP 74 Ca 0.00 2.80 0.21 0.00 1.18 0.00 0.00 52.55 56.74 2jxa s ASP 74 Cb 0.00 -2.65 1.24 0.00 -0.34 0.00 0.00 42.92 41.18 2jxa s ASP 74 CO 0.00 -0.70 1.95 1.55 0.68 0.00 0.00 175.17 178.65 2jxa h PRO 75 N 3.87 0.19 -0.70 2.11 0.13 -1.99 0.53 132.00 136.14 2jxa h PRO 75 Ca -0.48 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2jxa h PRO 75 Cb 1.23 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2jxa h PRO 75 CO 0.70 0.12 0.34 0.74 -0.23 0.00 0.00 178.00 179.67 2jxa h PHE 76 N 0.19 1.00 -0.01 1.56 -1.00 -1.97 1.13 116.94 117.85 2jxa h PHE 76 Ca 0.32 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.05 2jxa h PHE 76 Cb 0.99 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.24 2jxa h PHE 76 CO -0.00 0.75 -0.19 1.04 -1.61 0.00 0.00 178.31 178.30 2jxa n GLN 77 N -4.44 1.28 0.00 1.51 6.02 -0.38 -3.87 117.38 117.50 2jxa n GLN 77 Ca 0.06 -0.84 0.03 0.00 -0.01 0.00 0.00 57.00 56.23 2jxa n GLN 77 Cb 0.13 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2jxa n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jxa n MET 78 N -0.12 2.07 -0.09 -1.09 2.81 0.04 0.20 117.12 120.92 2jxa n MET 78 Ca 0.14 -0.49 -0.11 0.00 -1.81 0.00 0.00 57.70 55.42 2jxa n MET 78 Cb 0.39 -0.96 0.02 0.00 -0.71 0.00 0.00 33.22 31.96 2jxa n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jxa h GLU 79 N 0.65 0.85 -6.27 0.03 4.39 0.12 -3.38 114.58 110.97 2jxa h GLU 79 Ca 0.00 -0.43 -0.56 0.00 0.34 0.00 0.00 59.36 58.71 2jxa h GLU 79 Cb 0.19 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2jxa h GLU 79 CO 0.00 1.07 0.73 1.21 -1.16 0.00 0.00 179.01 180.86 2jxa s ASN 80 N -6.83 7.05 -0.26 1.42 2.47 -1.26 -4.89 114.94 112.65 2jxa s ASN 80 Ca -0.10 1.75 0.10 0.00 0.42 0.00 0.00 52.86 55.02 2jxa s ASN 80 Cb 0.12 -2.55 0.47 0.00 -1.45 0.00 0.00 41.25 37.83 2jxa s ASN 80 CO 0.87 -0.60 1.36 1.33 -3.72 0.00 0.00 177.10 176.34 2jxa n VAL 81 N 4.77 2.41 -3.45 -5.21 0.24 -1.26 -4.68 118.33 111.14 2jxa n VAL 81 Ca 0.11 -2.92 -0.28 0.00 -2.04 0.00 0.00 64.34 59.21 2jxa n VAL 81 Cb 0.46 -0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.43 2jxa n VAL 81 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jxa s GLN 82 N -3.23 0.75 -0.13 7.34 -1.52 -0.94 -4.10 119.66 117.82 2jxa s GLN 82 Ca 0.42 -1.71 -0.06 0.00 -1.95 0.00 0.00 55.36 52.07 2jxa s GLN 82 Cb 0.39 -1.41 0.06 0.00 -0.22 0.00 0.00 33.01 31.83 2jxa s GLN 82 CO -0.03 -1.28 0.28 0.00 -0.25 0.00 0.00 175.29 174.01 2jxa s TYR 84 N 1.93 0.95 -0.33 0.00 1.51 -1.26 -2.19 117.35 117.97 2jxa s TYR 84 Ca -0.04 -0.69 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 2jxa s TYR 84 Cb -0.11 -0.53 0.14 0.00 -0.11 0.00 0.00 41.96 41.35 2jxa s TYR 84 CO -0.09 -0.05 0.32 -1.17 -1.11 0.00 0.00 175.55 173.45 2jxa s LEU 85 N -2.45 -0.10 0.19 -1.29 2.96 -1.19 -4.93 118.68 111.85 2jxa s LEU 85 Ca 0.05 -1.17 -0.13 0.00 -0.22 0.00 0.00 54.13 52.65 2jxa s LEU 85 Cb -0.02 0.48 0.20 0.00 0.50 0.00 0.00 46.19 47.35 2jxa s LEU 85 CO -0.01 -0.33 1.71 -0.65 -1.32 0.00 0.00 176.35 175.75 2jxa h PRO 86 N 7.70 0.21 -0.09 0.98 0.11 -1.93 -1.63 132.00 137.35 2jxa h PRO 86 Ca -0.05 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.08 2jxa h PRO 86 Cb 1.06 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2jxa h PRO 86 CO 0.28 0.14 0.30 -0.44 -0.21 0.00 0.00 178.00 178.07 2jxa h ASP 87 N 0.22 0.00 -0.76 -2.05 3.32 -1.96 -1.33 116.42 113.86 2jxa h ASP 87 Ca 0.25 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.42 2jxa h ASP 87 Cb 0.35 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 2jxa h ASP 87 CO -0.34 0.00 0.50 0.00 -1.72 0.00 0.00 179.24 177.68 2jxa h ALA 88 N 1.48 1.93 -0.62 3.45 0.00 -1.61 -1.65 119.26 122.24 2jxa h ALA 88 Ca 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2jxa h ALA 88 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jxa h ALA 88 CO -0.00 -0.11 0.11 0.35 0.00 0.00 0.00 179.25 179.60 2jxa h PHE 89 N 0.57 1.09 -0.56 0.00 3.57 -1.32 -2.66 116.94 117.62 2jxa h PHE 89 Ca 0.36 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2jxa h PHE 89 Cb 0.63 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2jxa h PHE 89 CO -0.00 0.92 0.05 1.57 -2.23 0.00 0.00 178.31 178.62 2jxa h LYS 90 N 0.94 0.93 0.15 1.11 2.10 -1.47 -0.18 116.57 120.15 2jxa h LYS 90 Ca 0.19 -0.25 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2jxa h LYS 90 Cb 0.42 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2jxa h LYS 90 CO 0.01 0.89 -0.07 0.82 -2.00 0.00 0.00 179.45 179.10 2jxa h ILE 91 N 0.87 0.89 -0.21 0.07 2.04 -1.30 -1.16 117.51 118.70 2jxa h ILE 91 Ca 0.17 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 2jxa h ILE 91 Cb 0.44 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2jxa h ILE 91 CO 0.02 0.03 -0.34 0.24 0.00 0.00 0.00 178.15 178.10 2jxa h MET 92 N -0.27 0.45 -0.24 2.37 2.86 -1.40 -1.56 114.93 117.15 2jxa h MET 92 Ca -0.02 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2jxa h MET 92 Cb 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2jxa h MET 92 CO 0.03 0.74 0.14 0.77 1.06 0.00 0.00 176.91 179.65 2jxa h SER 93 N 0.39 0.30 -0.17 1.22 0.02 -0.85 0.24 113.55 114.69 2jxa h SER 93 Ca 0.04 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 2jxa h SER 93 Cb 0.78 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2jxa h SER 93 CO 0.06 0.27 -0.23 1.56 -1.14 0.00 0.00 176.83 177.34 2jxa h GLN 94 N 0.30 0.62 0.05 3.45 4.20 -1.09 0.02 115.11 122.65 2jxa h GLN 94 Ca 0.09 -0.24 -0.24 0.00 0.06 0.00 0.00 58.65 58.32 2jxa h GLN 94 Cb 0.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2jxa h GLN 94 CO -0.02 0.80 -1.04 0.00 -0.67 0.00 0.00 178.83 177.91 2jxa h ARG 95 N 0.54 0.33 0.00 1.46 3.08 -0.92 -3.39 114.38 115.48 2jxa h ARG 95 Ca 0.08 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2jxa h ARG 95 Cb 0.70 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2jxa h ARG 95 CO 0.05 1.12 -0.94 0.00 -1.07 0.00 0.00 179.97 179.14 2jxa s ASN 97 N -2.41 6.35 -0.46 0.00 0.01 -0.01 -1.95 114.94 116.48 2jxa s ASN 97 Ca -0.00 3.03 0.00 0.00 -0.71 0.00 0.00 52.86 55.18 2jxa s ASN 97 Cb 0.05 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2jxa s ASN 97 CO 0.33 -0.88 0.00 0.59 -1.51 0.00 0.00 177.10 175.63 2jxa n ASN 98 N 0.72 -5.09 -4.44 -1.22 4.13 -0.25 -4.96 115.26 104.15 2jxa n ASN 98 Ca 0.02 0.11 -0.30 0.00 1.68 0.00 0.00 54.58 56.09 2jxa n ASN 98 Cb 0.39 -2.97 -0.12 0.00 -1.54 0.00 0.00 39.78 35.54 2jxa n ASN 98 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jxa s ARG 99 N -1.97 1.81 0.24 3.52 0.52 -0.82 -4.79 118.95 117.45 2jxa s ARG 99 Ca 0.00 -1.14 0.06 0.00 -0.52 0.00 0.00 55.73 54.14 2jxa s ARG 99 Cb 0.00 -2.08 0.24 0.00 0.52 0.00 0.00 34.95 33.63 2jxa s ARG 99 CO 0.00 0.50 1.55 1.15 0.02 0.00 0.00 175.30 178.52 2jxa h THR 100 N 3.81 1.43 -3.15 0.02 2.02 -1.85 0.99 112.91 116.18 2jxa h THR 100 Ca -0.49 -2.14 -0.07 0.00 0.77 0.00 0.00 66.41 64.48 2jxa h THR 100 Cb 1.16 2.13 -0.16 0.00 -1.74 0.00 0.00 68.15 69.54 2jxa h THR 100 CO 0.45 0.62 -0.12 0.00 0.37 0.00 0.00 175.52 176.84 2jxa s GLN 101 N -3.62 0.94 -0.12 6.66 1.03 -1.26 -0.21 119.66 123.07 2jxa s GLN 101 Ca -0.03 -0.46 -0.21 0.00 0.04 0.00 0.00 55.36 54.70 2jxa s GLN 101 Cb 0.12 0.41 0.05 0.00 0.03 0.00 0.00 33.01 33.62 2jxa s GLN 101 CO 0.79 -0.33 0.52 0.00 -2.54 0.00 0.00 175.29 173.73 2jxa s VAL 103 N -0.46 1.27 0.00 0.00 1.01 -1.26 -1.71 120.40 119.26 2jxa s VAL 103 Ca -0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2jxa s VAL 103 Cb -0.03 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 2jxa s VAL 103 CO 0.04 0.40 0.00 -0.69 0.00 0.00 0.00 175.10 174.85 2jxa s VAL 104 N 1.10 0.03 -0.11 2.92 1.01 -0.93 -4.92 120.40 119.50 2jxa s VAL 104 Ca -0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2jxa s VAL 104 Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2jxa s VAL 104 CO -0.02 -0.13 1.47 -0.69 0.00 0.00 0.00 175.10 175.74 2jxa s VAL 105 N -0.37 3.91 0.00 2.92 1.01 -1.26 -0.50 120.40 126.11 2jxa s VAL 105 Ca -0.04 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2jxa s VAL 105 Cb -0.03 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2jxa s VAL 105 CO -0.00 -0.10 0.65 0.00 0.00 0.00 0.00 175.10 175.64 2jxa n ALA 106 N 6.91 2.30 0.00 5.51 0.00 0.68 -4.60 120.51 131.30 2jxa n ALA 106 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2jxa n ALA 106 Cb 0.44 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2jxa n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxa n GLY 107 N 1.75 -0.16 3.33 0.00 0.00 -1.26 -1.06 105.19 107.79 2jxa n GLY 107 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2jxa n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxa n SER 108 N 0.00 0.00 0.05 1.61 2.88 -1.26 -0.04 113.62 116.86 2jxa n SER 108 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2jxa n SER 108 Cb 0.00 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.74 2jxa n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jxa n ASP 109 N -1.90 0.20 0.11 -3.46 8.00 -1.26 -1.85 116.55 116.39 2jxa n ASP 109 Ca 0.00 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.19 2jxa n ASP 109 Cb 0.00 -0.61 0.45 0.00 -0.02 0.00 0.00 41.12 40.95 2jxa n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxa n ALA 110 N -1.59 1.96 -3.74 2.24 0.00 -0.44 -4.68 120.51 114.27 2jxa n ALA 110 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2jxa n ALA 110 Cb 0.10 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 2jxa n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jxa s PHE 111 N -3.20 -0.22 0.00 0.00 0.08 0.95 -4.88 117.98 110.70 2jxa s PHE 111 Ca 0.07 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.72 2jxa s PHE 111 Cb 0.11 -0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 2jxa s PHE 111 CO 0.49 -0.20 0.00 -2.30 -0.10 0.00 0.00 175.22 173.11 2jxa n PRO 112 N 4.28 2.40 -3.49 0.24 -0.02 -1.26 -4.55 135.00 132.59 2jxa n PRO 112 Ca -0.25 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.94 2jxa n PRO 112 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.88 2jxa n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxa s ASP 113 N -2.67 3.06 -0.13 2.55 2.15 -1.26 -4.92 116.67 115.45 2jxa s ASP 113 Ca 0.00 -2.20 -0.19 0.00 0.43 0.00 0.00 52.55 50.59 2jxa s ASP 113 Cb 0.00 -0.46 -0.17 0.00 -0.30 0.00 0.00 42.92 41.99 2jxa s ASP 113 CO 0.00 -0.31 0.48 1.55 -0.17 0.00 0.00 175.17 176.72 2jxa h PRO 114 N 7.04 0.00 -2.65 4.34 0.13 -1.92 -3.42 132.00 135.52 2jxa h PRO 114 Ca 0.04 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.57 2jxa h PRO 114 Cb 0.97 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.69 2jxa h PRO 114 CO 0.29 0.67 -0.70 0.00 -0.23 0.00 0.00 178.00 178.03 2jxa s PRO 116 N -1.41 4.19 0.00 0.00 0.04 -1.26 -2.79 135.00 133.77 2jxa s PRO 116 Ca 0.31 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2jxa s PRO 116 Cb 0.04 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2jxa s PRO 116 CO -0.13 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2jxa n GLY 117 N 3.18 0.96 3.65 0.56 0.00 -1.26 -5.09 105.19 107.19 2jxa n GLY 117 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2jxa n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxa s THR 118 N -2.07 3.81 -0.75 2.61 2.01 -1.12 -4.36 115.64 115.78 2jxa s THR 118 Ca 0.00 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 60.74 2jxa s THR 118 Cb 0.00 -2.79 0.06 0.00 0.01 0.00 0.00 72.50 69.78 2jxa s THR 118 CO 0.00 0.15 1.12 -0.47 -0.69 0.00 0.00 174.62 174.73 2jxa s TYR 119 N -1.25 2.60 0.00 4.92 5.04 0.52 -4.98 117.35 124.20 2jxa s TYR 119 Ca 0.23 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 2jxa s TYR 119 Cb -0.11 -4.43 0.00 0.00 0.35 0.00 0.00 41.96 37.77 2jxa s TYR 119 CO 0.16 -1.78 0.00 1.63 -1.34 0.00 0.00 175.55 174.22 2jxa n LYS 120 N 8.15 -0.76 -3.66 4.97 5.02 -1.26 -4.82 118.16 125.80 2jxa n LYS 120 Ca 0.05 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.27 2jxa n LYS 120 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N -0.98 -0.26 -0.11 2.13 -0.85 0.14 -2.59 117.35 114.82 2jxa s TYR 121 Ca 0.00 -0.02 0.01 0.00 -0.52 0.00 0.00 57.07 56.54 2jxa s TYR 121 Cb 0.00 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.98 2jxa s TYR 121 CO 0.00 -0.85 -0.12 -1.17 -1.52 0.00 0.00 175.55 171.88 2jxa s LEU 122 N -2.80 1.54 -0.12 -3.49 2.96 -0.57 -1.69 118.68 114.51 2jxa s LEU 122 Ca 0.08 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 2jxa s LEU 122 Cb -0.02 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.67 2jxa s LEU 122 CO -0.02 -0.04 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.05 2jxa s GLU 123 N 1.29 2.97 -0.06 1.98 2.12 -0.76 -2.03 118.70 124.21 2jxa s GLU 123 Ca -0.01 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.48 2jxa s GLU 123 Cb -0.14 -2.35 0.02 0.00 0.26 0.00 0.00 34.13 31.93 2jxa s GLU 123 CO -0.05 0.05 -0.05 0.08 -0.54 0.00 0.00 175.26 174.74 2jxa s VAL 124 N 0.67 0.66 -0.12 3.70 1.01 -0.57 -1.05 120.40 124.70 2jxa s VAL 124 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2jxa s VAL 124 Cb -0.16 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2jxa s VAL 124 CO 0.02 0.27 -0.13 -1.10 0.00 0.00 0.00 175.10 174.15 2jxa s GLN 125 N 1.16 3.26 0.24 2.72 1.11 0.64 -1.91 119.66 126.88 2jxa s GLN 125 Ca -0.07 -0.69 -0.15 0.00 0.01 0.00 0.00 55.36 54.47 2jxa s GLN 125 Cb -0.14 -2.59 0.00 0.00 -1.01 0.00 0.00 33.01 29.27 2jxa s GLN 125 CO -0.01 0.28 0.53 1.52 0.01 0.00 0.00 175.29 177.61 2jxa s TYR 126 N 0.18 0.19 0.28 0.91 -0.85 -0.59 -1.94 117.35 115.52 2jxa s TYR 126 Ca -0.08 -0.57 0.09 0.00 -0.52 0.00 0.00 57.07 56.00 2jxa s TYR 126 Cb -0.15 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 2jxa s TYR 126 CO 0.05 -1.03 -0.14 -0.51 -1.52 0.00 0.00 175.55 172.41 2jxa s ASP 127 N -2.98 3.21 -0.14 -0.18 1.01 -1.01 -1.14 116.67 115.44 2jxa s ASP 127 Ca 0.18 -1.10 -0.03 0.00 0.71 0.00 0.00 52.55 52.32 2jxa s ASP 127 Cb -0.02 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 2jxa s ASP 127 CO 0.07 -0.14 -0.04 0.00 0.21 0.00 0.00 175.17 175.27 2jxa s VAL 129 N 0.12 0.49 0.44 0.00 -7.23 -0.86 -4.86 120.40 108.50 2jxa s VAL 129 Ca -0.01 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.00 2jxa s VAL 129 Cb -0.14 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 2jxa s VAL 129 CO 0.03 -0.76 1.36 -2.84 -0.31 0.00 0.00 175.10 172.58 2jxa s PRO 130 N -3.90 3.76 -0.13 4.82 0.02 -1.26 -0.34 135.00 137.97 2jxa s PRO 130 Ca 0.15 2.27 -0.29 0.00 0.02 0.00 0.00 61.00 63.14 2jxa s PRO 130 Cb 0.06 -2.65 -0.01 0.00 0.02 0.00 0.00 34.50 31.92 2jxa s PRO 130 CO -0.03 -0.70 1.02 -0.47 -0.33 0.00 0.00 177.00 176.49 2jxa s TYR 131 N -1.25 3.46 -0.11 6.54 5.04 -1.26 -4.81 117.35 124.96 2jxa s TYR 131 Ca 0.60 1.55 -0.03 0.00 -2.44 0.00 0.00 57.07 56.75 2jxa s TYR 131 Cb -0.40 -3.22 -0.03 0.00 0.35 0.00 0.00 41.96 38.66 2jxa s TYR 131 CO 0.51 -0.34 0.00 0.21 -1.34 0.00 0.00 175.55 174.60 2jxa s LYS 132 N 2.28 3.27 0.05 4.97 2.20 -1.26 -5.10 119.74 126.15 2jxa s LYS 132 Ca 0.48 -0.42 -0.20 0.00 -0.36 0.00 0.00 55.97 55.47 2jxa s LYS 132 Cb -0.18 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.20 2jxa s LYS 132 CO 0.16 0.55 0.57 0.08 -0.36 0.00 0.00 175.35 176.34 2jxa s VAL 133 N -0.44 4.79 0.00 4.02 1.01 -1.26 -5.26 120.40 123.26 2jxa s VAL 133 Ca 0.08 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2jxa s VAL 133 Cb -0.12 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2jxa s VAL 133 CO 0.02 0.52 0.00 1.21 0.00 0.00 0.00 175.10 176.85